5-bromanyl-2-methoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(4-piperidinophenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCCC3)OC

InChI

InChI=1S/C21H24BrN3O2S/c1-14-12-15(22)13-18(19(14)27-2)20(26)24-21(28)23-16-6-8-17(9-7-16)25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11H2,1-2H3,(H2,23,24,26,28)